methyl-[2-oxidanylidene-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-(phenylmethyl)azanium chloride

Systemtic Name: methyl-[2-oxidanylidene-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-methyl-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]ammonium chloride CAS Name: methyl-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-methyl-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium chloride Traditional Name: benzyl-[2-keto-2-(6,7,8,9-tetrahydro-5H-benzocyclohepten-3-yl)ethyl]-methyl-ammonium chloride Formula: C21H26ClNO MolecularWeight: 343.89024

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(=O)C2=CC3=C(CCCCC3)C=C2.[Cl-]

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC(=O)C2=CC3=C(CCCCC3)C=C2.[Cl-]

InChI

InChI=1S/C21H25NO.ClH/c1-22(15-17-8-4-2-5-9-17)16-21(23)20-13-12-18-10-6-3-7-11-19(18)14-20;/h2,4-5,8-9,12-14H,3,6-7,10-11,15-16H2,1H3;1H